81 citations · 88 across the 4 of their papers we have counts for
4 papers
Density functional theory for fractional charge: Locality, size consistency, and exchange-correlation
Jing Kong
The exact universal functional of integer charge leads to an extension to fractional charge asymptotically when it is applied to a system made of asymptotically separated densities…
Analyzing cases of significant nondynamic correlation with DFT using the Atomic Populations of Effectively Localized Electrons
Conrad Lewis, Emil Proynov, Jianguo Yu +1
Multireference effects are associated with degeneracies and near-degeneracies of the ground state and are critical to a variety of systems. Most approximate functionals of density…
Reducing charge delocalization error of density functional theory
Emil Proynov, Jing Kong
The charge delocalization error, besides nondynamic correlation, has been a major challenge to density functional theory. Contemporary functionals undershoot the dissociation of sy…
Density Functional Model for Nondynamic and Strong Correlation
Jing Kong, Emil Proynov
A single-term density functional model for nondynamic and strong correlation is presented, based on single-determinant Kohn-Sham density functional theory. It is derived from model…